Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.63 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.51 |
| ▸ | THPO | P40225 | 2/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | NPY1R | P25929 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPY2R | P49146 | 1/20 | 0.49 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16363293 | 0.86 | YTHDC1 (0.59) | CDK1YTHDC1ADORA1CYP1A2NFKB1 | |
| SCHEMBL31061157 | 0.85 | YTHDC1 (0.58) | CDK1YTHDC1ADORA1CYP1A2NFKB1 | |
| SCHEMBL6659391 | 0.85 | YTHDC1 (0.58) | CDK1YTHDC1ADORA1CYP1A2NFKB1 | |
| SCHEMBL28251696 | 0.83 | LMNA (0.50) | CDK1CYP1A2NFKB1THPOPMP22 | |
| SCHEMBL28252178 | 0.81 | LMNA (0.49) | CDK1CYP1A2NFKB1THPOPMP22 | |
| SCHEMBL28251690 | 0.81 | LMNA (0.49) | CDK1CYP1A2NFKB1THPOPMP22 | |
| SCHEMBL28251680 | 0.81 | LMNA (0.49) | CDK1CYP1A2NFKB1THPOPMP22 | |
| SCHEMBL5355407 | 0.81 | LMNA (0.49) | CDK1CYP1A2NFKB1THPOPMP22 | |
| SCHEMBL31061395 | 0.80 | EGFR (0.59) | CDK1CYP1A2NFKB1THPOPMP22 | |
| SCHEMBL3398700 | 0.79 | ABL1 (0.66) | YTHDC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |